[Pw_forum] QE 6.2 + Environ 0.2

[MUIR,Christopher]

Hi everyone,

I have been attempting to assist one of our researchers in using QE with environ.

I've successfully compiled QE 6.2 using the following:

Intel compiler 17.0.2

Intel MPI 2.174

Intel MKL 2.174

And used the following:

./configure --enable-environment --enable-parallel --with-scalapack=intel FFT_LIBS="-L$MKLROOT/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core"

This seems to work fine but when I try to install Environ, the patches seem to run fine and all the necessary files seem to have been generated and modified.

Attempts to compile pw.x with environ lead to the following error:



mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__ENVIRONMENT -D__DFTI -D__MPI -D__SCALAPACK  -I/home/cmuir/qe-6.2//include -I/home/cmuir/qe-6.2//FoX/finclude -I../include/ -I/cm/shared/apps/intel/compilers_and_libraries/2017.2.174/mkl/include -I../../iotk/src -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -c plugin_initbase.f90

plugin_initbase.f90(30): error #6460: This is not a field name that is defined in the encompassing structure.   [NPP]

  ir_end = MIN(dfftp%nnr,dfftp%nr1x*dfftp%nr2x*dfftp%npp(me_bgrp+1))

-----------------------------------------------------^

plugin_initbase.f90(30): error #6158: The structure-name is invalid or is missing.   [DFFTP]

  ir_end = MIN(dfftp%nnr,dfftp%nr1x*dfftp%nr2x*dfftp%npp(me_bgrp+1))

-----------------------------------------------^

compilation aborted for plugin_initbase.f90 (code 1)

Not a fortran programmer but it's looking like the dfftp and npp variables were not imported into plugin_initbase.f90



Can anyone assist?



Thanks

Chris

------------------------------------------------------------------------------------------------------------------------------------------------

Christopher Muir

Information Technology Officer

Mona Information Technology Services

The University of the West Indies

Mona Campus

Jamaica, W.I.

T: 876-977-1785

E: christopher.muir at uwimona.edu.jm<mailto:christopher.muir at uwimona.edu.jm>



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